CID 45051020

N-(4-butylphenyl)-3-(5-(2-chlorophenyl)-2-furyl)-2-propenamide

Structural Information

Molecular Formula

C₂₃H₂₂ClNO₂

SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H22ClNO2/c1-2-3-6-17-9-11-18(12-10-17)25-23(26)16-14-19-13-15-22(27-19)20-7-4-5-8-21(20)24/h4-5,7-16H,2-3,6H2,1H3,(H,25,26)/b16-14+

InChIKey

CBUFOWKHGMNFJN-JQIJEIRASA-N

Compound name

(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 379.1339 Da
Monoisotopic Mass: 6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.141176	195.8
[M+Na]+	402.123118	202.8
[M-H]-	378.126624	205.8
[M+NH4]+	397.167723	208.5
[M+K]+	418.097058	196.0
[M+H-H2O]+	362.131160	187.3
[M+HCOO]-	424.132101	214.4
[M+CH3COO]-	438.147751	218.7
[M+Na-2H]-	400.108566	195.7
[M]+	379.13335142	200.2
[M]-	379.13444858	200.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.